[HTML][HTML] Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Z Jin, X Du, Y Xu, Y Deng, M Liu, Y Zhao, B Zhang, X Li… - Nature, 2020 - nature.com
A new coronavirus, known as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2),
is the aetiological agent responsible for the 2019–2020 viral pneumonia outbreak of …

[HTML][HTML] Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease

…, J Shen, G Xiao, H Jiang, L Zhang, Y Ye, Y Xu - Nature …, 2021 - nature.com
The ongoing pandemic of coronavirus disease 2019 (COVID-19) caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) urgently needs an effective cure. 3CL …

What coronavirus 3C‐like protease tells us: from structure, substrate selectivity, to inhibitor design

…, H Su, W Zhao, H Xie, Q Shao, Y Xu - Medicinal Research …, 2021 - Wiley Online Library
The emergence of a variety of coronaviruses (CoVs) in the last decades has posed huge
threats to human health. Especially, the ongoing pandemic of coronavirus disease 2019 (…

Conformational transition of amyloid β-peptide

Y Xu, J Shen, X Luo, W Zhu, K Chen… - Proceedings of the …, 2005 - National Acad Sciences
The amyloid β-peptides (Aβs), containing 39–43 residues, are the key protein components of
amyloid deposits in Alzheimer's disease. To structurally characterize the dynamic behavior …

Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir

…, Y Jiang, H Jiang, Y Xu, S Zhang, Y Zhang, HE Xu - Science, 2020 - science.org
The pandemic of coronavirus disease 2019 (COVID-19), caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), has become a global crisis. Replication of SARS-…

[HTML][HTML] Structural basis for chemokine recognition and receptor activation of chemokine receptor CCR5

…, S Han, C Zhang, C Yi, X Chu, Y Zhu, Y Xu… - Nature …, 2021 - nature.com
The chemokine receptor CCR5 plays a vital role in immune surveillance and inflammation.
However, molecular details that govern its endogenous chemokine recognition and receptor …

[HTML][HTML] Crystal structures of two phytohormone signal-transducing α/β hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14

LH Zhao, XE Zhou, ZS Wu, W Yi, Y Xu, S Li, TH Xu… - Cell research, 2013 - nature.com
Karrikins and strigolactones (SL) are two classes of butenolide compounds that control many
aspects of plant physiology. Karrikins, originally found in the smoke of forest fires, have the …

Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease

…, X Liu, G Xiao, H Jiang, Z Rao, LK Zhang, Y Xu… - Science, 2020 - science.org
SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is the etiological agent
responsible for the global COVID-19 (coronavirus disease 2019) outbreak. The main protease of …

[HTML][HTML] Oral Simnotrelvir for Adult Patients with Mild-to-Moderate Covid-19

…, Z Yi, B Hu, J Xu, X Gu, J Shen, Y Xu… - … England Journal of …, 2024 - Mass Medical Soc
Background Simnotrelvir is an oral 3-chymotrypsin–like protease inhibitor that has been
found to have in vitro activity against severe acute respiratory syndrome coronavirus 2 (SARS-…

[HTML][HTML] Computational studies on acetylcholinesterases

Y Xu, S Cheng, JL Sussman, I Silman, H Jiang - Molecules, 2017 - mdpi.com
Functions of biomolecules, in particular enzymes, are usually modulated by structural
fluctuations. This is especially the case in a gated diffusion-controlled reaction catalyzed by an …